(4-methoxyphenyl) (E)-2-phenylethenesulfonate

C15H14O4S — CID 6036014

IUPAC(4-methoxyphenyl) (E)-2-phenylethenesulfonate
SMILESCOc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c1-18-14-7-9-15(10-8-14)19-20(16,17)12-11-13-5-3-2-4-6-13/h2-12H,1H3/b12-11+
InChIKeyVGUBZZARCMBYLX-VAWYXSNFSA-N
MW290.34 g/mol
LogP3.07
Rot. Bonds5

About (4-methoxyphenyl) (E)-2-phenylethenesulfonate

(4-methoxyphenyl) (E)-2-phenylethenesulfonate (PubChem CID 6036014) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is (4-methoxyphenyl) (E)-2-phenylethenesulfonate.

Molecular Properties

Compound Name(4-methoxyphenyl) (E)-2-phenylethenesulfonate
PubChem CID6036014
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name(4-methoxyphenyl) (E)-2-phenylethenesulfonate
SMILESCOc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c1-18-14-7-9-15(10-8-14)19-20(16,17)12-11-13-5-3-2-4-6-13/h2-12H,1H3/b12-11+
InChIKeyVGUBZZARCMBYLX-VAWYXSNFSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) (E)-2-phenylethenesulfonate?
The IUPAC name of (4-methoxyphenyl) (E)-2-phenylethenesulfonate (CID 6036014) is (4-methoxyphenyl) (E)-2-phenylethenesulfonate.
What is the SMILES notation for (4-methoxyphenyl) (E)-2-phenylethenesulfonate?
The canonical SMILES for (4-methoxyphenyl) (E)-2-phenylethenesulfonate is COc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl) (E)-2-phenylethenesulfonate?
The InChIKey is VGUBZZARCMBYLX-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H14O4S/c1-18-14-7-9-15(10-8-14)19-20(16,17)12-11-13-5-3-2-4-6-13/h2-12H,1H3/b12-11+.
What are the key properties of (4-methoxyphenyl) (E)-2-phenylethenesulfonate?
(4-methoxyphenyl) (E)-2-phenylethenesulfonate has a molecular weight of 290.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) (E)-2-phenylethenesulfonate is sourced from PubChem (CID 6036014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).